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BDBM50345810 3-((S)-1-(dimethylamino)ethyl)phenyl(R)-1-phenylpropan-2-ylcarbamate hydrochloride::CHEMBL1784956

SMILES: C[C@H](Cc1ccccc1)NC(=O)Oc1cccc(c1)[C@H](C)N(C)C

InChI Key: InChIKey=HKJROXHSAHRDAO-CVEARBPZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50345810   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50345810
PNG
(3-((S)-1-(dimethylamino)ethyl)phenyl(R)-1-phenylpr...)
Show SMILES C[C@H](Cc1ccccc1)NC(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C20H26N2O2/c1-15(13-17-9-6-5-7-10-17)21-20(23)24-19-12-8-11-18(14-19)16(2)22(3)4/h5-12,14-16H,13H2,1-4H3,(H,21,23)/t15-,16+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 404n/an/an/an/an/an/a



Sention Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method


Bioorg Med Chem Lett 19: 3243-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.089
BindingDB Entry DOI: 10.7270/Q2VQ3300
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50345810
PNG
(3-((S)-1-(dimethylamino)ethyl)phenyl(R)-1-phenylpr...)
Show SMILES C[C@H](Cc1ccccc1)NC(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C20H26N2O2/c1-15(13-17-9-6-5-7-10-17)21-20(23)24-19-12-8-11-18(14-19)16(2)22(3)4/h5-12,14-16H,13H2,1-4H3,(H,21,23)/t15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 416n/an/an/an/an/an/a



Sention Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified human plasma BuChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method


Bioorg Med Chem Lett 19: 3243-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.089
BindingDB Entry DOI: 10.7270/Q2VQ3300
More data for this
Ligand-Target Pair